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4-OH-Bz3(OH)34Gu
34Gu.png)
34Gu_Ea.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis & P. luctuosa |
| Synonym | — |
| Molecular formula | C₁₈H₃₂N₆O₃ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCCNC(N)=N)C1=CC=C(O)C=C1 |
| InChI | InChI=1S/C18H32N6O3/c19-18(20)23-11-2-1-9-21-10-3-13-24(27)14-4-12-22-17(26)15-5-7-16(25)8-6-15/h5-8,21,25,27H,1-4,9-14H2,(H,22,26)(H4,19,20,23) |
| |
| Precursor 1 [M+H]⁺ | 381.26087 |
| Precursor 2 [M+2H]²⁺ | 191.13407 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX [M(D₈)+D]⁺ | 390.31736 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 196.16545 |
| Precursor HDX 3 | |
| |
| Rt | 5.83 |
| Rt HDX | 4.28 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 211.10772 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 251.13902 | 233.12845 | 234.11247 | 268.16557 | 171.16042 | 154.13387 | 204.18189 |
| 3 | 322.21252 | 304.20195 | 305.18597 | 381.26087 | 244.21319 | 227.18664 | 261.23974 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 381.26087 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 381.26087 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Low molecular mass compounds in spider venom | Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation | div. | | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |